2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol

C17H31N3O — CID 79934787

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
SMILESCC1CN2CCCC2CN1CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C17H31N3O/c1-13-9-19-8-2-3-16(19)10-20(13)11-17(12-21,14-4-5-14)18-15-6-7-15/h13-16,18,21H,2-12H2,1H3
InChIKeyCAKKAIQIFITCKC-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.05
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol (PubChem CID 79934787) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
PubChem CID79934787
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
SMILESCC1CN2CCCC2CN1CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C17H31N3O/c1-13-9-19-8-2-3-16(19)10-20(13)11-17(12-21,14-4-5-14)18-15-6-7-15/h13-16,18,21H,2-12H2,1H3
InChIKeyCAKKAIQIFITCKC-UHFFFAOYSA-N
XLogP1.05
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol with MolForge

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Related Compounds

2-(ethylamino)-2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79937063
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
N-ethyl-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943170
N,2-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943400
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
CID 79933628
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 64797554
2-[2-(bromomethyl)-2-ethylbutyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943358
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol (CID 79934787) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol is CC1CN2CCCC2CN1CC(CO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The InChIKey is CAKKAIQIFITCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-9-19-8-2-3-16(19)10-20(13)11-17(12-21,14-4-5-14)18-15-6-7-15/h13-16,18,21H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol has a molecular weight of 293.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 79934787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).